ChemSpider 2D Image | (1S,4R)-3-(Methylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate | C9H10NO4

(1S,4R)-3-(Methylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate

  • Molecular FormulaC9H10NO4
  • Average mass196.180 Da
  • Monoisotopic mass196.061523 Da
  • ChemSpider ID34975380

  • Charge - Charge

    defined stereocentres - 2 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,4R)-3-(Methylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-en-2-carboxylat [German] [ACD/IUPAC Name]
(1S,4R)-3-(Methylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate [ACD/IUPAC Name]
(1S,4R)-3-(Méthylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ène-2-carboxylate [French] [ACD/IUPAC Name]
7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(methylamino)carbonyl]-, ion(1-), (1S,4R)- [ACD/Index Name]
CHEMBL369464

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 498.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.0±6.0 kJ/mol
Flash Point: 255.5±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.14
ACD/LogD (pH 5.5): -2.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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